QC Lab: A Python Package for Quantum-Classical Dynamics
Chemical Physics
2025-10-28 v1 Computational Physics
Abstract
QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates cross-compatibility between algorithms and models. By decomposing algorithms and models into a series of tasks and ingredients that can be substituted and reused, it minimizes development efforts and code redundancy. In this Paper, we introduce the first stable release of QC Lab, and describe its design philosophy.
Keywords
Cite
@article{arxiv.2510.22919,
title = {QC Lab: A Python Package for Quantum-Classical Dynamics},
author = {Alex Krotz and Ethan Byrd and Ken Miyazaki and Roel Tempelaar},
journal= {arXiv preprint arXiv:2510.22919},
year = {2025}
}
Comments
10 pages, 5 figures